3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole

C65H90N2O4 — CID 59831059

About 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole

3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole (PubChem CID 59831059) has the molecular formula C65H90N2O4 and a molecular weight of 963.44 g/mol. Its IUPAC name is 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole.

Molecular Properties

• Compound Name: 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole
• PubChem CID: 59831059
• Molecular Formula: C65H90N2O4
• Molecular Weight: 963.44 g/mol
• Exact Mass: 962.69
• IUPAC Name: 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole
• SMILES: CCCCCCCCCCOc1cc(-c2ccc3c(c2)c2cc(-c4cc5c6cc(C)ccc6n(CCCCCCCCCC)c5cc4OC)c(OC)cc2n3CCCCCCCCCC)c(OC)cc1C
• InChI: InChI=1S/C65H90N2O4/c1-9-12-15-18-21-24-27-30-37-66-58-35-33-48(4)40-52(58)54-43-56(64(69-7)46-60(54)66)57-44-55-53-42-50(51-45-62(49(5)41-63(51)68-6)71-39-32-29-26-23-20-17-14-11-3)34-36-59(53)67(61(55)47-65(57)70-8)38-31-28-25-22-19-16-13-10-2/h33-36,40-47H,9-32,37-39H2,1-8H3
• InChIKey: GXBIPEZIAIGZSL-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 46.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 33
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.44
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole?

The IUPAC name of 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole (CID 59831059) is 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole.

What is the SMILES notation for 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole?

The canonical SMILES for 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole is CCCCCCCCCCOc1cc(-c2ccc3c(c2)c2cc(-c4cc5c6cc(C)ccc6n(CCCCCCCCCC)c5cc4OC)c(OC)cc2n3CCCCCCCCCC)c(OC)cc1C.

What is the InChIKey of 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole?

The InChIKey is GXBIPEZIAIGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H90N2O4/c1-9-12-15-18-21-24-27-30-37-66-58-35-33-48(4)40-52(58)54-43-56(64(69-7)46-60(54)66)57-44-55-53-42-50(51-45-62(49(5)41-63(51)68-6)71-39-32-29-26-23-20-17-14-11-3)34-36-59(53)67(61(55)47-65(57)70-8)38-31-28-25-22-19-16-13-10-2/h33-36,40-47H,9-32,37-39H2,1-8H3.

What are the key properties of 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole?

3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole has a molecular weight of 963.44 g/mol, XLogP of 19.68, 33 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(5-decoxy-2-methoxy-4-methylphenyl)-9-decyl-2-methoxycarbazol-3-yl]-9-decyl-2-methoxy-6-methylcarbazole is sourced from PubChem (CID 59831059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).